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Chemistry, part 1

Content language

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Concept information

organooxygen compound > fumonisin-c1

Preferred term

fumonisin-c1  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C33H57NO15

has_functional_parent

inchi

  • InChI=1S/C33H57NO15/c1-4-5-8-20(3)31(49-30(43)16-22(33(46)47)14-28(40)41)26(48-29(42)15-21(32(44)45)13-27(38)39)12-19(2)11-23(35)9-6-7-10-24(36)17-25(37)18-34/h19-26,31,35-37H,4-18,34H2,1-3H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t19-,20+,21?,22?,23+,24+,25-,26-,31+/m0/s1

inchikey

  • IPHITBYESVEIQT-MFOCIPDHSA-N

mass

  • 707.811

monoisotopicmass

  • 707.37282

smiles

  • O=C(O)C(CC(=O)O[C@@H]([C@@H](OC(=O)CC(C(=O)O)CC(=O)O)C[C@H](C[C@H](O)CCCC[C@@H](O)C[C@H](O)CN)C)[C@@H](CCCC)C)CC(=O)O

subset

  • 2_STAR

synonym EXACT

  • 2-[2-[(5R,6R,7S,9S,11R,16R,18S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216631

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